Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 2/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | SDCBP | O00560 | 1/20 | 0.34 |
| ▸ | SDC2 | P34741 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3958728 | 1.00 | CTSK (0.42) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL16894118 | 1.00 | CTSK (0.42) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL12466119 | 0.86 | CTSS (0.47) | CTSKCTSSCYP2D6KMT2AMEN1 | |
| SCHEMBL1128239 | 0.86 | CTSS (0.47) | CTSKCTSSCYP2D6KMT2AMEN1 | |
| SCHEMBL3724961 | 0.84 | CTSS (0.43) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL27821174 | 0.84 | CTSS (0.43) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL16463894 | 0.84 | CTSS (0.43) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL7437694 | 0.84 | CA12 (0.42) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL7437701 | 0.84 | CA12 (0.42) | CTSKCTSSCYP2D6CA1CA2 | |
| SCHEMBL7438400 | 0.84 | CA12 (0.42) | CTSKCTSSCYP2D6CA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11084794-B2 | Controlled cyclization of peptoids to form chiral diketopiperazines | TRIAD NATIONAL SECURITY, LLC (US) | 2021-08-10 | — | — | US | disclosed |
| US-20200131140-A1 | CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES | TRIAD NATIONAL SECURITY, LLC (US) | 2020-04-30 | — | — | US | disclosed |
| EP-2900642-B1 | SUBSTITUTED SULFONAMIDE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-02-28 | — | — | EP | disclosed |
| US-9580411-B2 | Substituted sulfonamide compounds | HOFFMANN-LA ROCHE INC. (US) | 2017-02-28 | — | — | US | disclosed |
| EP-2900642-A1 | SUBSTITUTED SULFONAMIDE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2015-08-05 | — | — | EP | disclosed |
| US-20150197509-A1 | SUBSTITUTED SULFONAMIDE SOLUTIONS | GENENTECH, INC. (US) | 2015-07-16 | — | — | US | disclosed |
| US-9067881-B2 | 4-tolyl-ethynyl-octahydro-indole-1-ester derivatives | NOVARTIS AG (CH) | 2015-06-30 | — | — | US | disclosed |
| US-20130303538-A1 | 4-Tolyl-ethynyl-octahydro-indole-1-ester derivatives | NOVARTIS PHARMA AG (CH) | 2013-11-14 | — | — | US | disclosed |
| US-7626023-B2 | Compounds for treating tumors | WYETH (US) | 2009-12-01 | — | — | US | disclosed |
| US-20080221181-A1 | COMPOUNDS FOR TREATING TUMORS | WYETH HOLDINGS CORPORATION (US) | 2008-09-11 | — | — | US | disclosed |
| US-7390910-B2 | Compounds for treating tumors | WYETH (US) | 2008-06-24 | — | — | US | disclosed |
| WO-2005016958-A2 | COMPOUNDS FOR TREATING TUMORS | WYETH HOLDINGS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |
| US-20050037977-A1 | Compounds for treating tumors | WYETH HOLDINGS CORPORATION (US) | 2005-02-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130303538-A1 | 4-Tolyl-ethynyl-octahydro-indole-1-ester derivatives | TPH1, IDO1, TPH2 | CTSK 3789/4885CTSS 3602/4885CYP2D6 66/4885 |
| US-20080221181-A1 | COMPOUNDS FOR TREATING TUMORS | RB1, MRPL9, BCOR | CTSK 2662/4885CTSS 2714/4885CYP2D6 1863/4885 |
| US-20050037977-A1 | Compounds for treating tumors | RB1, MRPL9, BCOR | CTSK 2662/4885CTSS 2714/4885CYP2D6 1863/4885 |
| US-20150197509-A1 | SUBSTITUTED SULFONAMIDE SOLUTIONS | TRPA1, TRPV1, TRPV5 | CTSK 1892/4885CTSS 1254/4885CYP2D6 656/4885 |
| US-11084794-B2 | Controlled cyclization of peptoids to form chiral diketopiperazines | NPPA, NPEPPS, RRP15 | CTSK 1090/4885CTSS 643/4885CYP2D6 947/4885 |
| US-20200131140-A1 | CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES | NPPA, NPEPPS, RRP15 | CTSK 1090/4885CTSS 643/4885CYP2D6 947/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.